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ResearcherID: LRS-8834-2024
Scopus Author ID: 57213628356

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Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences: CHENNAI, Tamil Nadu, IN

Research Scholar (Physics)
Employment
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Dr. P. Divya

Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences: CHENNAI, Tamil Nadu, IN

2023-09-06 to 2034-06-10 | Assistant Professor (Physics)
Employment
Source: Self-asserted source
Dr. P. Divya

Works (17)

Comprehensive analysis of 2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrole:<i> H</i>-pyrrole: X-ray crystal structure, spectral, computational, molecular properties, docking studies, molecular dynamics, and MMPBSA

Journal of Molecular Structure
2025 | Journal article
DOI: 10.1016/J.MOLSTRUC.2024.140062
WOSUID: WOS:001320483300001
Contributors: Reeda, V. S. Jeba; Divya, P.; Ranchani, A. Amala Jeya; Manikandan, A.; Alvi, Shakeel; Ali, Rashid; Siddiqui, Nazia; Haq, Nazrul; Muthu, S.; Butcher, Ray et al.
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Experimental spectra, quantum chemical methods molecular docking and research on fexofenadine: Experimental and theoretical approach

Spectroscopy Letters: An International Journal for Rapid Communication
2025 | Journal article
DOI: 10.1080/00387010.2024.2424457
WOSUID: WOS:001358510300001
Contributors: Vijayakumari, G.; Divya, P.; Iyandurai, N.; Jeba Reeda, V. S.; Thamarai, A.; Manikandan, A.; Kavitha, K.; Khaled, Jamal M.; Muthu, S.
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Conformational stability, quantum computational (DFT), vibrational, electronic and non-covalent interactions (QTAIM, RDG and IGM) of antibacterial compound N-(1-naphthyl)ethylenediamine dihydrochloride

Journal of Molecular Structure
2024 | Journal article
DOI: 10.1016/J.MOLSTRUC.2023.137043
WOSUID: WOS:001166777100001
Contributors: Reeda, V. S. Jeba; Sakthivel, S.; Divya, P.; Javed, Saleem; Jothy, V. Bena
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Fungicide compound 2, 3-dichloronaphthalene-1, 4-dione: Non-covalent interactions (QTAIM, RDG and ELF), combined vibrational spectroscopic investigations using DFT approach with experimental analysis, electronic, molecular docking scrutiny in-vitro assay and thermodynamic property analysis

Journal of Molecular Liquids
2024 | Journal article
DOI: 10.1016/J.MOLLIQ.2024.124544
WOSUID: WOS:001218302400001
Contributors: Divya, P.; Reeda, V. S. Jeba; Jothy, V. Bena
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Leveraging the properties of pyridine derivatives using DFT analysis to achieve breakthroughs in supercapacitance advancements

Ionics
2024 | Journal article
DOI: 10.1007/S11581-024-05736-6
WOSUID: WOS:001282092700001
Contributors: Ranchani, A. Amala Jeya; Reeda, V. S. Jeba; Divya, P.; Suja, R.; Jothy, V. Bena
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Quantum chemical computational analysis, electronic transitions, interaction mechanisms analysis by spectroscopic, molecular docking, and molecular dynamic simulation of retinol

Spectroscopy Letters: An International Journal for Rapid Communication
2024 | Journal article
DOI: 10.1080/00387010.2024.2359114
WOSUID: WOS:001235421900001
Contributors: Reeda, V. S. Jeba; Divya, P.; Karthick, T.; Jothy, V. Bena; Alharbi, Naiyf S.; Kadaikunnan, Shine; Manikandan, A.; Muthu, S.
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Structural activity, spectroscopic, Fukui, NCI, AIM, IGM combined with molecular docking and molecular dynamics simulation on 4-methylpyridi-nium 4-hydroxybenzoate-potent drug anti-leukemia cancer

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
2024 | Journal article
DOI: 10.1016/J.SAA.2023.123568
WOSUID: WOS:001107013000001
Contributors: Divya, P.; Reeda, V. S. Jeba; Suja, R.; Jothy, V. Bena
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Structural, Fukui, non-covalent analysis, molecular docking, free energy landscapes, and principle component analysis of biological active 1,8-naphthalic anhydride

Spectroscopy Letters: An International Journal for Rapid Communication
2024 | Journal article
DOI: 10.1080/00387010.2024.2401990
WOSUID: WOS:001314948100001
Contributors: Reeda, V. S. Jeba; CheerlinMishma, J. N.; Divya, P.; Suja, R.; Manikandan, A.; Shahid, Mudassar; Arora, Himanshu; Ali, Akram; Siddiqui, Nazia; Javed, Saleem
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Synthesis, spectroscopic analysis (FT-IR, FT-Raman, UV, NMR) non-covalent interactions (RDG, IGM) and dynamic simulation on Bis (8-hydroxy quinoline) salicylate salicylic acid

Journal of Molecular Structure
2024 | Journal article
DOI: 10.1016/J.MOLSTRUC.2024.138231
WOSUID: WOS:001236260000001
Contributors: Suja, R.; Rathika, A.; Reeda, V. S. Jeba; Kumar, Arun; Divya, P.
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Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent

Journal of Molecular Liquids
2024 | Journal article
DOI: 10.1016/J.MOLLIQ.2024.124895
WOSUID: WOS:001240402100001
Contributors: Divya, P.; Reeda, V. S. Jeba; Selvaraj, S.; Jothy, Bena
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Vibrational analysis, DFT computations of spectroscopic, non-covalent analysis with molecular docking and dynamic simulation of 2-amino-4, 6-dimethyl pyrimidine benzoic acid

Journal of Molecular Structure
2024 | Journal article
DOI: 10.1016/J.MOLSTRUC.2024.139160
WOSUID: WOS:001267718700001
Contributors: Divya, P.; Reeda, V. S. Jeba; Renuga, S.; Annapoorani, C. Devi; Jothy, V. Bena
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Spectroscopic investigations and electronic transitions, topology studies, and biological assay of a potent antimicrobial compound: 2-amino-pyrimidine benzoic acid

Spectroscopy Letters: An International Journal for Rapid Communication
2023 | Journal article
DOI: 10.1080/00387010.2023.2271611
WOSUID: WOS:001091435900001
Contributors: Divya, P.; Reeda, V. S. Jeba; Jothy, V. Bena
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Structural Activity, Spectroscopic, Fukui, NCI, AIM, IGM Combined with Molecular Docking and Molecular Dynamics Simulation on 4-Methylpyridinium 4-Hydroxybenzoate-Potent Drug Anti-Leukemia Cancer

SSRN
2023 | Other
DOI: 10.2139/ssrn.4512660
EID:

2-s2.0-85166049452

Part of ISSN: 15565068
Contributors: Divya, P.; Reeda, V.S.J.; Suja, R.; Jothy, V.B.
Source: Self-asserted source
Dr. P. Divya via Scopus - Elsevier

Synthesis, spectroscopic investigations, topological non-covalent interactions, chemical reactivity, molecular docking and molecular dynamic simulation on piperazine succinate- A potential antimicrobial compound

Journal of Molecular Structure
2023 | Journal article
DOI: 10.1016/J.MOLSTRUC.2023.136179
WOSUID: WOS:001046874800001
Contributors: Reeda, V. S. Jeba; Divya, P.; Suja, R.; Rathika, A.; Jothy, V. Bena
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Hydrogen bonding interactions on molecular properties of pesticidal compound 4-nitrophthalic acid: experimental density functional theory computations, electron localized function, localized orbital locator analysis and molecular docking scrutiny

Spectroscopy Letters
2022-05-28 | Journal article
DOI: 10.1080/00387010.2022.2080227
Part of ISSN: 0038-7010
Part of ISSN: 1532-2289
Contributors: P. Divya; P. Muthuraja; M.Dhandapani; V. Bena Jothy
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Dr. P. Divya
grade
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Pesticidal compound Pirimicarb: Spectral analysis, DFT computations, molecular docking study and in vitro bioactivity

Chemical Physics Letters
2018-08 | Journal article
DOI: 10.1016/j.cplett.2018.06.021
Part of ISSN: 0009-2614
Contributors: P. Divya; P. Muthuraja; M. Dhandapani; M.Dhandapani
Source: Self-asserted source
Dr. P. Divya
grade
Preferred source (of 3)‎

Density functional theoretical analysis with experimental, invitro bioactivity and molecular docking investigations on the pesticide Albendazole

Chemical Physics Letters
2018-03 | Journal article
DOI: 10.1016/j.cplett.2018.01.055
Part of ISSN: 0009-2614
Contributors: P. Divya; V. Bena Jothy
Source: Self-asserted source
Dr. P. Divya
grade
Preferred source (of 3)‎

Peer review (18 reviews for 5 publications/grants)

Review activity for Computational and theoretical chemistry. (3)
Review activity for Journal of molecular structure. (11)
Review activity for Materials chemistry and physics. (1)
Review activity for Results in physics. (2)
Review activity for Steroids. (1)
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